2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

C14H15N3O — CID 66416789

IUPAC2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1coc(CCNCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H15N3O/c1-4-13-11(10-17-14(13)16-6-1)9-15-7-5-12-3-2-8-18-12/h1-4,6,8,10,15H,5,7,9H2,(H,16,17)
InChIKeyXHIAICVDYPHACO-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.49
Rot. Bonds5

About 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine

2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (PubChem CID 66416789) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
PubChem CID66416789
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine
SMILESc1coc(CCNCc2c[nH]c3ncccc23)c1
InChIInChI=1S/C14H15N3O/c1-4-13-11(10-17-14(13)16-6-1)9-15-7-5-12-3-2-8-18-12/h1-4,6,8,10,15H,5,7,9H2,(H,16,17)
InChIKeyXHIAICVDYPHACO-UHFFFAOYSA-N
XLogP2.49
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine (CID 66416789) is 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is c1coc(CCNCc2c[nH]c3ncccc23)c1.
What is the InChIKey of 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
The InChIKey is XHIAICVDYPHACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-4-13-11(10-17-14(13)16-6-1)9-15-7-5-12-3-2-8-18-12/h1-4,6,8,10,15H,5,7,9H2,(H,16,17).
What are the key properties of 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine?
2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine has a molecular weight of 241.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 66416789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).